Machine learning-based high throughput screening for nitrogen fixation on boron-doped single atom catalysts
Author:
Affiliation:
1. Center for Superfunctional Materials
2. Department of Chemistry
3. Ulsan National Institute of Science and Technology (UNIST)
4. Ulsan 689-798
5. Korea
Abstract
Machine learning (ML) methods would significantly reduce the computational burden of catalysts screening for nitrogen reduction reaction (NRR).
Funder
National Research Foundation of Korea
Korea Institute of Science and Technology Information
Publisher
Royal Society of Chemistry (RSC)
Subject
General Materials Science,Renewable Energy, Sustainability and the Environment,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2020/TA/C9TA12608B
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